1-Piperazinecarboxylic acid, ethyl ester
Basic information
- CAS
120-43-4- Standard SMILES
CCOC(=O)N1CCNCC1- InChIKey
LNOQURRKNJKKBU-UHFFFAOYSA-N- Molecular formula
- C7H14N2O2
- Average molar mass
- 158.2 g/mol
- Monoisotopic mass
- 158.10552769
Names & identifiers
- Preferred name
- 1-Piperazinecarboxylic acid, ethyl ester
- IUPAC
- ethyl piperazine-1-carboxylate
- English name
- Ethyl N-piperazinecarboxylate
- Molecular formula
- C7H14N2O2
- Molecular weight
- 158.2
Names & synonyms
120-43-4Ethyl N-piperazinecarboxylateEthyl 1-piperazinecarboxylate1-PIPERAZINECARBOXYLIC ACID, ETHYL ESTERN-(Ethoxycarbonyl)piperazinePiperazine ethylcarboxylateBRN 0125780EINECS 204-395-2Ethyl N-piperazinocarboxylaten-carboethoxypiperazinePiperazine-N-carboxylic acid ethyl esterDTXSID7059511
Show more names
AKOS BC-0597RARECHEM AH CK 0098TIMTEC-BB SBB003993LABOTEST-BB LT00138086ethylcarbonylpiperazineEthylcarbonyl piperazine
5-23-01-00055 (Beilstein Handbook Reference)RefChem:77021DTXCID1033535LNOQURRKNJKKBU-UHFFFAOYSA-NEthyl piperazine-1-carboxylateN-Carbethoxypiperazine1-Carbethoxypiperazine1-Carboethoxypiperazine
Database identifiers
- CAS
120-43-4- PubChem CID
- 8431
- DTXSID
DTXSID7059511- ChEMBL
CHEMBL213851- UNII
- 29325GHS9J
- EC Number
- 204-395-2
- Nikkaji
- J19A
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 41.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 132
Experimental & physicochemical properties
Dissociation Constants8.2
Physicochemical properties
- Melting point
- 120 °C · 120 °C
- Boiling point
- 273 °C · 273 °C (lit.)
- Density
- 1.08 g/mL · 1.08 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.477(lit.)
- Flash point
- 230 °F · >230 °F
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- form
- Oily Liquid
- pka
- 8.5 · 8.50±0.10(Predicted)
- color
- Clear light yellow
- Water Solubility
- soluble
- BRN
- 125780 · 125780
- InChI
- 1S/C7H14N2O2/c1-2-11-7(10)9-5-3-8-4-6-9/h8H,2-6H2,1H3
- InChIKey
- LNOQURRKNJKKBU-UHFFFAOYSA-N
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (86.5%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 52 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Status: Active Update: 22-06-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/26347
Piperazine ethylcarboxylate: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAcute Tox. 4 (86.5%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- TL1378000
- ridadr
- UN 2810 6.1/PG 3
- hs_code
- 29335995
- risk_code
- 22-36/37/38-20/21/22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn,T
- hazard_note
- Toxic
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1-Piperazinecarboxylic acid, ethyl ester: ACTIVE
Applications
UsesIntermediate.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
325 records
Compound notes
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